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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinazol (4S)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.78 8.57 -28.78 2 9 0 107 476.533 6 ↓

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinazol (4R)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.78 9.22 -31.26 2 9 0 107 476.533 6 ↓

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinazolin-5-o (4R)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.36 10.19 -19.25 2 6 0 80 426.398 4 ↓

Analogs

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Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinazolin-5-o (4S)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.36 9.55 -21.47 2 6 0 80 426.398 4 ↓

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4R)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 9.24 -18.49 2 6 0 80 376.391 3 ↓

Analogs

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Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4S)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 8.6 -19.43 2 6 0 80 376.391 3 ↓

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-4-(4-dimethylaminophenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4R)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 10.24 -22.25 2 7 0 83 401.47 4 ↓
Lo Low (pH 4.5-6) 3.60 10.99 -55.42 3 7 0 84 402.478 4 ↓

Analogs

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Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-4-(4-dimethylaminophenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4S)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 9.62 -23.54 2 7 0 83 401.47 4 ↓
Lo Low (pH 4.5-6) 3.60 10.36 -41.46 3 7 0 84 402.478 4 ↓

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-4-(3-methoxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4R)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 9.12 -23.56 2 7 0 89 388.427 4 ↓

Analogs

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Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-4-(3-methoxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4S)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 8.49 -25.7 2 7 0 89 388.427 4 ↓

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinazolin-5-o (4R)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 10.44 -22.59 2 6 0 80 426.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinazolin-5-o (4S)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 11.28 -26.46 2 6 0 80 426.398 4 ↓

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-4-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4R)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.94 10.5 -21.33 2 6 0 80 372.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-4-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4S)-2-(1,3-benzoxazol-2-ylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.94 9.86 -22.65 2 6 0 80 372.428 3 ↓

Parameters Provided:

ring.id = 112862
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 112862 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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